Multimillion Atom Simulations with NEMO 3-D
Date of this Version
6-15-2009Acknowledgements
The work has been supported by the Indiana 21st Century Fund, Army Research Office, Office of Naval Research, Semiconductor Research Corporation, ARDA, the National Science Foundation. The work described in this publication was carried out in part at the Jet Propulsion Laboratory, California Institute of Technology under a contract with the National Aeronautics and Space Administration. The development of the NEMO 3-D tool involved a large number of individuals at JPL and Purdue, whose work has been cited. Drs. R. Chris Bowen, Fabiano Oyafuso, and Seungwon Lee were key contributors in this large effort at JPL. he authors acknowledge an NSF Teragrid award DMR070032.
Abstract
The rapid progress in nanofabrication technologies has led to the development of novel devices and structures which could revolutionize many high technology industries. These devices demonstrate new capabilities and functionalities where the quantum nature of charge carriers plays an important role in determining the overall device properties and performance. For device sizes in the range of tens of nanometers, the atomistic granularity of constituent materials cannot be neglected: effects of atomistic strain, surface roughness, unintentional doping, the underlying crystal symmetries, or distortions of the crystal lattice can have a dramatic impact on the device operation and performance.
Keywords
Nanostructures, Quantum dots, Strain, Band structure, Piezoelectricity, Tight binding, NEMO 3-D, nanoHUB, Rappture